AB48962
541-16-2 | Di-tert-Butyl malonate
Manufacturer: A2B Chem
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CatalogNumber
AB48962
ChemicalName
Di-tert-Butyl malonate
CasNumber
541-16-2
MolecularFormula
C11H20O4
MolecularWeight
216.2741
MdlNumber
MFCD00008810
Smiles
O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
2.1
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CatalogNumber: AB48962
ChemicalName: Di-tert-Butyl malonate
CasNumber: 541-16-2
MolecularFormula: C11H20O4
MolecularWeight: 216.2741
MdlNumber: MFCD00008810
Smiles: O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.1
CatalogNumber:
AB48962
ChemicalName:
Di-tert-Butyl malonate
CasNumber:
541-16-2
MolecularFormula:
C11H20O4
MolecularWeight:
216.2741
MdlNumber:
MFCD00008810
Smiles:
O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1)[N+](=O)[O-])N
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1)[N+](=O)[O-])N
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AB48964
ChemicalName: 4-Hydroxy-1,5-naphthyridine-3-carboxylic acid
CasNumber: 53512-10-0
MolecularFormula: C9H6N2O3
MolecularWeight: 190.1555
MdlNumber: MFCD07787267
Smiles: OC(=O)c1cnc2c(c1O)nccc2
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB48964
ChemicalName:
4-Hydroxy-1,5-naphthyridine-3-carboxylic acid
CasNumber:
53512-10-0
MolecularFormula:
C9H6N2O3
MolecularWeight:
190.1555
MdlNumber:
MFCD07787267
Smiles:
OC(=O)c1cnc2c(c1O)nccc2
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NOc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NOc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__